SCHEMBL466527

SCHEMBL466527

CCCOc1ccc(C2C(=O)NC(=O)N2CCCn2cncc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 16/20 0.52
GSK3B P49841 13/20 0.52
QPCTL Q9NXS2 1/20 0.43
ALOX15 P16050 1/20 0.42
FPR1 P21462 1/20 0.42
MAPK10 P53779 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL466456 0.84 QPCT (0.47) QPCTGSK3B
SCHEMBL466462 0.80 FPR1 (0.59) QPCTALOX15FPR1MAPK10CYP3A4
SCHEMBL1713833 0.76 QPCT (0.41) QPCTGSK3B
SCHEMBL1713622 0.71 QPCT (0.43) QPCTGSK3B
SCHEMBL13457689 0.71 QPCT (0.43) QPCTGSK3BQPCTL
SCHEMBL466467 0.65 QPCT (0.45) QPCTALDH1A1
SCHEMBL329374 0.64 ALDH1A1 (0.46) QPCTCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL466466 0.64 QPCT (0.43) QPCT
SCHEMBL18746918 0.63 CYP2D6 (0.88) CYP3A4CYP2D6CYP2C9ALDH1A1MAPT
SCHEMBL8591844 0.63 QPCT (0.43) QPCTCYP3A4CYP2D6CYP2C9ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP claimed
EP-2344157-B1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2016-05-25 EP claimed
US-8962860-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-02-24 US claimed
US-8889709-B2 Use of isoQC inhibitors in the treatment and prevention of inflammatory diseases or conditions PROBIODRUG AG (DE) 2014-11-18 US claimed
EP-2344157-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2011-07-20 EP claimed
EP-2344158-A1 Use of isoQC inhibitors Probiodrug AG (DE) 2011-07-20 EP claimed
US-20100125086-A1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2010-05-20 US claimed
US-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-05-13 US claimed
WO-2010026209-A1 Use of isoQC inhibitors PROBIODRUG AG (DE) 2010-03-11 WO claimed
WO-2010026212-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2010-03-11 WO claimed
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP disclosed
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP disclosed
EP-2344157-B1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2016-05-25 EP disclosed
EP-2344157-B1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2016-05-25 EP disclosed
US-8962860-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-02-24 US disclosed
US-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-05-13 US disclosed
WO-2010026209-A1 Use of isoQC inhibitors PROBIODRUG AG (DE) 2010-03-11 WO disclosed
WO-2010026209-A1 Use of isoQC inhibitors PROBIODRUG AG (DE) 2010-03-11 WO disclosed
WO-2010026212-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2010-03-11 WO disclosed
WO-2010026212-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2010-03-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100119475-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL QPCT 4/4885GSK3B 3104/4885QPCTL 43/4885
US-20100125086-A1 USE OF ISOQC INHIBITORS QPCT, QPCTL, GGCT QPCT 1/4885GSK3B 2464/4885QPCTL 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.